| CAS Number | 9082-07-9 |
| Catalog Number | AG003OVP(AGN-PC-0VR7NT) |
| Chemical Name | Chondroitin Sulfate Sodium Salt , |
| IUPAC Name | sodium;(2R,3R,4R,5S,6S)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-oxidooxysulfonyloxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChI | InChI=1S/C14H23NO16S.Na/c1-3(17)15-5-10(9(30-32(25,26)31-24)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22;/h4-11,13-14,16,18-20,23-24H,2H2,1H3,(H,15,17)(H,21,22);/q;+1/p-1/t4-,5-,6-,7-,8+,9+,10-,11-,13-,14+;/m1./s1 |
| InChI Key | IRBQJAIRJFKJPJ-INLZCJMDSA-M |
| MDL Number | MFCD01310245 |
| Molecular Formula | C28H40N2Na4O29S2 |
| Molecular Weight | 1024.7023 |
| SMILES | O[C@H]1[C@H](O[C@@H]([C@@H]2NC(C)=O)O[C@H](COS(=O)(O[Na])=O)[C@H](O)[C@@H]2O[C@@H]([C@@H]3O)O[C@H](C(O[Na])=O)[C@@H](O)[C@@H]3O)[C@@H](C(O[Na])=O)O[C@@H](O[C@H]4[C@@H](O)[C@@H](COS(=O)(O[Na])=O)O[C@@H](O)[C@@H]4NC(C)=O)[C@@H]1O |
| Synonyms | Chondroitin Sulfate Sodium Salt,
9082-07-9,
MFCD01779745,
AKOS015961482,
BC206998,
IRBQJAIRJFKJPJ-INLZCJMDSA-M,
Chondroitin sulfate sodium, 90%, from pork bone - 25G 25g,
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| Complexity | 778 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 515.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 515.371g/mol |
| Monoisotopic Mass | 515.056g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 279A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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